5-methyl-1H-1,2,4-triazol-3-amine;hydrochloride

C3H7ClN4 — CID 75464794

IUPAC5-methyl-1H-1,2,4-triazol-3-amine;hydrochloride
SMILESCc1nc(N)n[nH]1.Cl
InChIInChI=1S/C3H6N4.ClH/c1-2-5-3(4)7-6-2;/h1H3,(H3,4,5,6,7);1H
InChIKeyPBIDYWHMJFILSZ-UHFFFAOYSA-N
MW134.57 g/mol
LogP0.12
Rot. Bonds

About 5-methyl-1H-1,2,4-triazol-3-amine;hydrochloride

5-methyl-1H-1,2,4-triazol-3-amine;hydrochloride (PubChem CID 75464794) has the molecular formula C3H7ClN4 and a molecular weight of 134.57 g/mol. Its IUPAC name is 5-methyl-1H-1,2,4-triazol-3-amine;hydrochloride.

Molecular Properties

Compound Name5-methyl-1H-1,2,4-triazol-3-amine;hydrochloride
PubChem CID75464794
Molecular FormulaC3H7ClN4
Molecular Weight134.57 g/mol
Exact Mass134.04
IUPAC Name5-methyl-1H-1,2,4-triazol-3-amine;hydrochloride
SMILESCc1nc(N)n[nH]1.Cl
InChIInChI=1S/C3H6N4.ClH/c1-2-5-3(4)7-6-2;/h1H3,(H3,4,5,6,7);1H
InChIKeyPBIDYWHMJFILSZ-UHFFFAOYSA-N
XLogP0.12
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.57
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-1,2,4-triazol-3-amine;hydrochloride?
The IUPAC name of 5-methyl-1H-1,2,4-triazol-3-amine;hydrochloride (CID 75464794) is 5-methyl-1H-1,2,4-triazol-3-amine;hydrochloride.
What is the SMILES notation for 5-methyl-1H-1,2,4-triazol-3-amine;hydrochloride?
The canonical SMILES for 5-methyl-1H-1,2,4-triazol-3-amine;hydrochloride is Cc1nc(N)n[nH]1.Cl.
What is the InChIKey of 5-methyl-1H-1,2,4-triazol-3-amine;hydrochloride?
The InChIKey is PBIDYWHMJFILSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4.ClH/c1-2-5-3(4)7-6-2;/h1H3,(H3,4,5,6,7);1H.
What are the key properties of 5-methyl-1H-1,2,4-triazol-3-amine;hydrochloride?
5-methyl-1H-1,2,4-triazol-3-amine;hydrochloride has a molecular weight of 134.57 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-1,2,4-triazol-3-amine;hydrochloride is sourced from PubChem (CID 75464794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).